SCHEMBL5544383

SCHEMBL5544383

N#Cc1ccc(COC=O)c(C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 1/20 0.35
▸ FNTA P49354 5/20 0.34
▸ FNTB P49356 5/20 0.34
▸ PGGT1B P53609 4/20 0.34
▸ CA2 P00918 3/20 0.33
▸ CA1 P00915 2/20 0.33
▸ SRC P12931 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ IMPDH2 P12268 1/20 0.32
▸ IMPDH1 P20839 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22298177 0.79 SRC (0.38) SRCFFAR1FFAR4PTGDR2TRPV4
SCHEMBL5544377 0.78 STS (0.36) STSFNTAFNTBPGGT1BCA2
SCHEMBL2090082 0.77 FNTA (0.39) STSFNTAFNTBPGGT1BCA2
SCHEMBL2090078 0.77 FNTA (0.36) STSFNTAFNTBPGGT1BCA2
SCHEMBL514414 0.77 FFAR1 (0.44) FFAR1NPC1RAB9ACASP3KCNH2
SCHEMBL10824278 0.74 CYP2A6 (0.48) STSFFAR1FFAR4IMPDH2IMPDH1
SCHEMBL2095842 0.74 STS (0.37) STSCA2CA1FFAR1FFAR4
SCHEMBL6666836 0.74 NPC1 (0.52) NPC1RAB9ACASP3
SCHEMBL134950 0.73 MAOB (0.47) CA2NPC1RAB9ACA12CA3
SCHEMBL29273438 0.72 IMPDH2 (0.38) STSCA2CA1FFAR1FFAR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 STS 2306/4885FNTA 2864/4885FNTB 286/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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